Theoretical modelling and design of safe covalent anti-cancer drugs. Covalent drugs are a new class of drugs with outstanding potential in cancer therapy. Detailed computer modelling studies will be performed to determine how these drugs interact with an important target in cancer therapy, the epithelial growth factor receptor, and thereby aid the development of new cancer treatments.
Chiral Catalysts by Rational Design. This project aims to integrate theory and experiment to design new catalysts for the synthesis of multi-stereocentre-containing molecules. Such molecules offer clear advantages in the area of drug design, owing to their potent and selective binding to biological targets, but a lack of available methods for their preparation currently limits their widespread use. This project will use theory to guide the discovery of new ways to make these molecules. It is exp ....Chiral Catalysts by Rational Design. This project aims to integrate theory and experiment to design new catalysts for the synthesis of multi-stereocentre-containing molecules. Such molecules offer clear advantages in the area of drug design, owing to their potent and selective binding to biological targets, but a lack of available methods for their preparation currently limits their widespread use. This project will use theory to guide the discovery of new ways to make these molecules. It is expected that detailed understanding of the factors that control stereocentre formation will be obtained from accurate theoretical modelling and will be applied to invent new catalysts that deliver improved performance and control over product structure.Read moreRead less
Function, Mechanism and Dynamics in Fluorescent Proteins: a Computational Investigation. The rich reservoir of chromoproteins and fluorescent proteins in the ecosystem of the Great Barrier Reef offers Australia a unique natural advantage for the development of a niche biotechnology industry based on fluorescent markers for cellular biology and biomedical imaging. This project provides a crucial component of the science that is necessary for developing such an industry: a molecular-level knowledg ....Function, Mechanism and Dynamics in Fluorescent Proteins: a Computational Investigation. The rich reservoir of chromoproteins and fluorescent proteins in the ecosystem of the Great Barrier Reef offers Australia a unique natural advantage for the development of a niche biotechnology industry based on fluorescent markers for cellular biology and biomedical imaging. This project provides a crucial component of the science that is necessary for developing such an industry: a molecular-level knowledge of how these proteins function and how we can manipulate and enhance their properties as imaging agents. It will achieve fundamental advances in biomolecular modelling techniques, train graduates with exceedingly valuable skill sets as well as deriving knowledge that aids the development of Australia's biotech industries.Read moreRead less
Opening Up Access to L-Sugars through a Synergy of Experiment and Theory. This project aims to address a major bottleneck in the science of carbohydrates by developing the first broad-scope synthetic routes to L-sugars. L-sugars are critical components of many biologically and commercially significant molecules, but knowledge of their functional roles is impeded by the fact that most L-sugars are expensive or difficult to make. This project expects to develop expeditious routes to L-sugars via a ....Opening Up Access to L-Sugars through a Synergy of Experiment and Theory. This project aims to address a major bottleneck in the science of carbohydrates by developing the first broad-scope synthetic routes to L-sugars. L-sugars are critical components of many biologically and commercially significant molecules, but knowledge of their functional roles is impeded by the fact that most L-sugars are expensive or difficult to make. This project expects to develop expeditious routes to L-sugars via an innovative combination of synthetic and theoretical chemistry. Expected outcomes include a markedly increased capacity to access pure samples of L-sugar-based biomolecules, as needed for studying their biological functions. Significant benefits in the development of vaccines, diagnostics and biomaterials are anticipated.Read moreRead less
Computational studies of melting and the solvation properties of ionic liquids. Ionic liquids are used in industry as green solvents and electrolytes, although there is not yet sufficient knowledge on the science of ionic liquids to enable optimal solvents to be readily designed. This project uses state of the art techniques in computational chemistry to solve practical problems related to the characteristics of ionic liquids.
Special Research Initiatives - Grant ID: SR0354741
Funder
Australian Research Council
Funding Amount
$10,000.00
Summary
Quantum Many-Body Systems Network: Breakthrough Science and Frontier Technologies. This Initiative will bring together leading researchers with complementary expertise in mathematics and the enabling sciences to form a Network fostering world leading fundamental research and innovation in quantum many-body systems. The collaborative effort between mathematicians with powerful and sophisticated new techniques and physicists and chemists with deep insight into the challenges and opportunities of t ....Quantum Many-Body Systems Network: Breakthrough Science and Frontier Technologies. This Initiative will bring together leading researchers with complementary expertise in mathematics and the enabling sciences to form a Network fostering world leading fundamental research and innovation in quantum many-body systems. The collaborative effort between mathematicians with powerful and sophisticated new techniques and physicists and chemists with deep insight into the challenges and opportunities of the quantum realm will lead to breakthrough science of vital importance to the development of frontier technologies in Australia. This Network will also place a strong emphasis on research training, the mentoring of early career researchers and establishing collaborations with leading international research groups and networks.
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Preparing quantum chemistry for the second quantum revolution. This project aims to provide new computer models of quantum systems, which can be used to design new quantum technologies that exploit fundamental quantum physics, such as light harvesting. The benefits of such an approach are broad, as innovative technology firms can use its outputs in a virtual laboratory design process, saving time and costs. The work is significant, as it will bring a new physics-led approach to quantum chemistry ....Preparing quantum chemistry for the second quantum revolution. This project aims to provide new computer models of quantum systems, which can be used to design new quantum technologies that exploit fundamental quantum physics, such as light harvesting. The benefits of such an approach are broad, as innovative technology firms can use its outputs in a virtual laboratory design process, saving time and costs. The work is significant, as it will bring a new physics-led approach to quantum chemistry of excited states and open systems, which are likely to play a key role in future quantum technologies. It will also ensure Australia has well-trained computational chemists, who can take those skills to industry or academia; and will foster strong connections with Israel, a leader in the high-technology field.Read moreRead less
Quantum states of matter: from spin liquids to superconductors. Condensed matter physics has produced the technologies and materials that fuelled the digital and communications revolution. The scientific importance of condensed matter physics is indicated by the fact that ten Nobel prizes have been awarded for work in this field since 1990. This proposal brings together world leading chemists, experimental physicists and theoretical physicists from Australia, USA and UK to work on highly interdi ....Quantum states of matter: from spin liquids to superconductors. Condensed matter physics has produced the technologies and materials that fuelled the digital and communications revolution. The scientific importance of condensed matter physics is indicated by the fact that ten Nobel prizes have been awarded for work in this field since 1990. This proposal brings together world leading chemists, experimental physicists and theoretical physicists from Australia, USA and UK to work on highly interdisciplinary projects designed to discover how quantum mechanics leads to the novel properties of chemically complex materials. Such materials will be of central importance to the technologies of the future such as computer memories and the superconducting magnets in hospital MRI machines.Read moreRead less
Strongly correlated electron models for organic superconductors. In conventional metals such as copper the interactions between the electrons do not qualitively change the behaviour of the material. However, over the last few decades many materials have been discovered whose behaviours are dominated by the interactions between electrons. These 'strongly correlated' materials include technologically important materials used in power distribution, catalysis and plastic display technologies. This p ....Strongly correlated electron models for organic superconductors. In conventional metals such as copper the interactions between the electrons do not qualitively change the behaviour of the material. However, over the last few decades many materials have been discovered whose behaviours are dominated by the interactions between electrons. These 'strongly correlated' materials include technologically important materials used in power distribution, catalysis and plastic display technologies. This project will combine theoretical and experimental methods from chemistry and physics in an effort to explain the novel behaviours seen in certain classes of organic strongly correlated materials. This understanding has the potential to impact future electronic devices and advanced materials.Read moreRead less
Special Research Initiatives - Grant ID: SR0354636
Funder
Australian Research Council
Funding Amount
$30,000.00
Summary
Australian Computational Molecular Science Network. Computational Molecular Science (CMS) involves the use of theory and computational methods to simulate and visualise molecular systems ranging from small atmospheric species to proteins, nucleic acids, chemical polymers and materials. It represents our most incisive expression of what we understand about the molecular basis of nature. The CMS network will integrate and cross-fertilize both fundamental and application-based expertize in molecula ....Australian Computational Molecular Science Network. Computational Molecular Science (CMS) involves the use of theory and computational methods to simulate and visualise molecular systems ranging from small atmospheric species to proteins, nucleic acids, chemical polymers and materials. It represents our most incisive expression of what we understand about the molecular basis of nature. The CMS network will integrate and cross-fertilize both fundamental and application-based expertize in molecular scale computations in the fields of nanoscience, biomaterials, biotechnology, biomedical science and environmental science. It will uncover and explore critical new interdisciplinary science and create new molecular-based paradigms that will drive advances in these fields over the next decade.Read moreRead less